SCHEMBL355952

SCHEMBL355952

CC(C)c1noc(-c2ccc(N3CCNCC3)c(C(N)=O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NPY2R P49146 2/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ACVR1 Q04771 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
YWHAG P61981 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
PLAT P00750 2/20 0.36
TGFBR1 P36897 1/20 0.36
PIM1 P11309 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL355620 0.82 POLB (0.45) POLBNPY2RMAPTHTT
SCHEMBL356739 0.80 NPY2R (0.56) POLBNPY2RMAOAMAOBUSP30
SCHEMBL20883677 0.75 KDM4E (0.48) ACVR1KDM4EMEN1MAPTTHRB
SCHEMBL6631182 0.71 HDAC2 (0.48) ACVR1KDM4EMEN1MAPTTHRB
SCHEMBL22542062 0.70 KDM4E (0.51) ACVR1KDM4EMEN1MAPTTHRB
SCHEMBL3093837 0.70 MAOA (0.50) POLBMAOAMAOBKDM4EMAPT
SCHEMBL11217216 0.69 HSD17B10 (0.53) POLBACVR1KDM4EMEN1MAPT
SCHEMBL3086050 0.69 NPC1 (0.52) POLBMAOAMAOBMAPTUSP30
SCHEMBL6629665 0.69 ACMSD (0.44) ACVR1KDM4EMEN1MAPTTHRB
SCHEMBL354591 0.67 NPY2R (0.46) POLBNPY2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R POLB 4536/4885NPY2R 1/4885MAOA 598/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.